SCHEMBL1553438

SCHEMBL1553438

CN(c1ccncc1)C(=O)[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
GRIN2B Q13224 2/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 4/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GHSR Q92847 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TNK2 Q07912 2/20 0.41
PREP P48147 2/20 0.40
MAPK1 P28482 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16585481 1.00 POLB (0.46) POLBCYP2D6CYP2C9GRIN2BALDH1A1
Oxalic Acid SCHEMBL7332882 0.98 CYP2D6 (0.44) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL6475964 0.82 ALDH1A1 (0.47) CYP2D6CYP2C9ALDH1A1GAACYP3A4
SCHEMBL6475969 0.82 ALDH1A1 (0.47) CYP2D6CYP2C9ALDH1A1GAACYP3A4
SCHEMBL5469953 0.80 ALDH1A1 (0.51) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL5469955 0.80 ALDH1A1 (0.51) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL1554396 0.80 POLB (0.60) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL1554397 0.80 POLB (0.60) POLBCYP2D6CYP2C9GRIN2BALDH1A1
SCHEMBL8393648 0.80 LMNA (0.58) CYP2D6CYP2C9ALDH1A1GAACYP3A4
SCHEMBL6483802 0.79 ALDH1A1 (0.53) CYP2D6CYP2C9ALDH1A1GAACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US claimed
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed
US-9982231-B2 Methods for reprogramming differentiated non-cardiac cells into cardiomyocytes THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-05-29 US disclosed
US-20160250260-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US disclosed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US disclosed
EP-1459743-B9 Agent for prophylaxis and treatment of glaucoma SENJU PHARMA CO (JP) 2012-08-01 EP disclosed
EP-1459742-B9 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2012-05-02 EP disclosed
EP-1295607-B9 ANTITUMOR EFFECT POTENTIATORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-10-05 EP disclosed
EP-1177796-B1 Medicament for prevention or therapeutic treatment of liver disease MITSUBISHI TANABE PHARMA CORP (JP) 2011-04-27 EP disclosed
EP-0956865-B2 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2010-08-18 EP disclosed
US-20030096843-A1 Preventives/remedies for kidney diseases MITSUBISHI PHARMA CORPORATION (JP) 2003-05-22 US disclosed
EP-1295607-A1 ANTITUMOR EFFECT POTENTIATORS Mitsubishi Pharma Corporation (JP) 2003-03-26 EP disclosed
US-6451825-B1 FOR THERAPY OF HYPERTENSION, A THERAPEUTIC AGENT OF ANGINA PECTORIS, A SUPPRESSIVE AGENT OF CEREBROVASCULAR CONTRACTION, ASTHMA, PERIPHERAL CIRCULATION DISORDER, AS PROPHYLACTIC AGENT OF IMMATURE BIRTH, A THERAPEUTIC AGENT OF ARTERIOSCLEROSIS MITSUBISHI PHARMA CORPORATION (JP) 2002-09-17 US disclosed
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2002-03-14 US disclosed
EP-1177796-A1 PREVENTIVES/REMEDIES FOR LIVER DISEASES Mitsubishi Pharma Corporation (JP) 2002-02-06 EP disclosed
EP-1174150-A1 PREVENTIVES/REMEDIES FOR ANGIOSTENOSIS Mitsubishi Pharma Corporation (JP) 2002-01-23 EP disclosed
EP-1163910-A1 PREVENTIVES/REMEDIES FOR INTERSTITIAL PNEUMONIA AND PULMONARY FIBROSIS Welfide Corporation (JP) 2001-12-19 EP disclosed
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-1034793-A1 PREVENTIVES/REMEDIES FOR GLAUCOMA Senju Pharmaceutical Co., Ltd. (JP) 2000-09-13 EP disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030096843-A1 Preventives/remedies for kidney diseases RHOA, ROCK1, MMP1 POLB 3061/4885CYP2D6 4849/4885CYP2C9 4876/4885
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 POLB 3141/4885CYP2D6 4649/4885CYP2C9 4820/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA POLB 3254/4885CYP2D6 4121/4885CYP2C9 3847/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.